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MMsINC code: MMs01112914

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

Oc1c2c(ccc1C(=O)Nc1ccccc1NC(=O)C)cccc2

InChI:

InChI=1/C19H16N2O3/c1-12(22)20-16-8-4-5-9-17(16)21-19(24)15-11-10-13-6-2-3-7-14(13)18(15)23/h2-11,23H,1H3,(H,20,22)(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.15 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -5.08025	SlogP: 3.7561	Reactive groups: 0

Topological Properties
Globularity: 0.0132381	Sterimol/B1: 1.99187	Sterimol/B2: 2.56121	Sterimol/B3: 3.02354
Sterimol/B4: 8.88374	Sterimol/L: 15.8714

Surface and Volume Properties
Accessible surface: 561.146	Positive charged surface: 317.845	Negative charged surface: 231.832	Volume: 300.625
Hydrophobic surface: 456.264	Hydrophilic surface: 104.882

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.